5-phenyl-1,3-thiazole-4-carboxylic acid

C10H7NO2S — CID 944813

IUPAC5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1ccccc1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyBIIMZWZUYMBFEV-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

About 5-phenyl-1,3-thiazole-4-carboxylic acid

5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 944813) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID944813
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1ccccc1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyBIIMZWZUYMBFEV-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyl-1,3-thiazole-4-carboxylic acid
CID 86069799
Diphenyl-1,3-thiazole-4-carboxylic acid
CID 11357987
2-Amino-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 18322993
5-(2-Fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 52124567
3-(Thiazol-5-yl)benzoic acid
CID 66851047
4-Phenylthiazole-5-carboxylic acid
CID 13441329
2-Azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 165901889
5-(2-Phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 86069803
5-[2-(4-Bromophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 172439582
5-[2-(2-Fluorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 172441571
5-[2-[4-(Trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxylic acid
CID 172447020
5-[2-(4-Fluorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 172448903

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-phenyl-1,3-thiazole-4-carboxylic acid (CID 944813) is 5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is BIIMZWZUYMBFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13).
What are the key properties of 5-phenyl-1,3-thiazole-4-carboxylic acid?
5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 205.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 944813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).